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Ab Initio Configuration Interaction Calculation of the Exchange Coupling Constant in Hydroxo Doubly Bridged Cr(III) Dimers

✍ Scribed by Castell, O.; Caballol, R.


Book ID
125514352
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
67 KB
Volume
38
Category
Article
ISSN
0020-1669

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Ab initio calculation of the magnetic ex
✍ Ch. Kolczewski; K. Fink; V. Staemmler πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 328 KB πŸ‘ 2 views

Quantum chemical ab initio calculations have been performed for the magnetic exchange coupling in three linear oxo-bridged heterobinuclear transition-metal Ε½ . Ε½ . complexes of the form L M III -O-M III L with M , M s Ti, V, Cr. In order to 5 1 2 5 1 2 simplify the calculations, the terminal ligands